Greg Landrum 79e8295586 Support Python 3.11 (#5994) ...

* remove some more deprecated numpy stuff

* workaround for changes to random.shuffle in python 3.11

* fix pickling of rdkit mols in python 3.11

* add py311 build to CI

* update py311 CI

* remove qt for py311 for the moment

* only use the new code with pyversion >=3.11

* use the new logic for all pickle_suites

* need to work with older py too

2023-01-24 18:16:26 +01:00

..

testData

Add a MultiFPBReader class (#909)

2016-05-29 09:38:14 -04:00

Wrap

Support Python 3.11 (#5994)

2023-01-24 18:16:26 +01:00

base64.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

base64.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

BitOps.cpp

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

BitOps.h

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

BitVect.cpp

Change boost int types to std types (#2233)

2019-01-22 17:45:03 +01:00

BitVect.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

BitVects.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

BitVectUtils.h

clang-tidy-7 pass (#2408)

2019-04-16 12:05:47 -04:00

CMakeLists.txt

Fixes #5210 (#5408)

2022-07-11 11:20:03 +02:00

DatastructsException.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

DatastructsStreamOps.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

DiscreteDistMat.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

DiscreteDistMat.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

DiscreteValueVect.cpp

Address build warnings (#3082)

2020-04-17 14:40:15 +02:00

DiscreteValueVect.h

miscellaneous updates (#4284)

2021-07-13 06:57:29 +02:00

ExplicitBitVect.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

ExplicitBitVect.h

a few doxygen comment fixes (#4368)

2021-08-09 04:58:01 +02:00

FPBReader.cpp

Move to C++17 (#5155)

2022-04-12 13:53:07 +02:00

FPBReader.h

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

MultiFPBReader.cpp

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

MultiFPBReader.h

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

SparseBitVect.cpp

clang-tidy: readability-simplify-boolean-expr (#4639)

2022-03-17 13:50:50 +01:00

SparseBitVect.h

Run clang-tidy (modernize-use-override) (#4251)

2021-07-01 05:18:56 +02:00

SparseIntVect.h

Run clang-tidy (readability-braces-around-statements) (#4977)

2022-03-10 08:00:10 +01:00

testDatastructs.cpp

Fixes #3944 (#4049)

2021-04-19 14:39:25 +02:00

testFPB.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00

testMultiFPB.cpp

swap boost::tuple to std::tuple (#5851)

2022-12-16 16:01:19 +01:00

Utils.cpp

Run clang-format against cpp (#4358)

2021-10-20 04:25:27 +02:00